SCHEMBL15329939

SCHEMBL15329939

CCCC[C@@H](N)c1cc(C=O)ccn1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.34
SLC2A1 P11166 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LNPEP Q9UIQ6 2/20 0.31
ALDH3A1 P30838 2/20 0.31
ALDH1A3 P47895 2/20 0.31
SLC15A1 P46059 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2559960 1.00 CA2 (0.34) CA2SLC2A1ALDH1A1LNPEPALDH3A1
SCHEMBL15330394 0.91 IRAK4 (0.34) ALDH1A1ALDH3A1ALDH1A3
SCHEMBL15330705 0.91 IRAK4 (0.34) ALDH1A1ALDH3A1ALDH1A3
SCHEMBL15329693 0.84 ALDH1A1 (0.35) ALDH1A1ALDH3A1ALDH1A3
SCHEMBL2560556 0.84 ALDH1A1 (0.35) ALDH1A1ALDH3A1ALDH1A3
SCHEMBL2560016 0.80 FDPS (0.30)
SCHEMBL15332272 0.80 FDPS (0.30)
SCHEMBL15331761 0.79 KDM4E (0.35) CA2SLC2A1ALDH1A1ALDH3A1ALDH1A3
SCHEMBL15331310 0.79 KDM4E (0.35) CA2SLC2A1ALDH1A1ALDH3A1ALDH1A3
SCHEMBL2558546 0.78 KDM4E (0.32) ALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed